CID 469188

Ddc-ddc dimer

Structural Information

Molecular Formula
C22H28N6O8
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)NC(=O)CCC(=O)NC3=NC(=O)N(C=C3)[C@H]4CC[C@H](O4)CO
InChI
InChI=1S/C22H28N6O8/c29-11-13-1-5-19(35-13)27-9-7-15(25-21(27)33)23-17(31)3-4-18(32)24-16-8-10-28(22(34)26-16)20-6-2-14(12-30)36-20/h7-10,13-14,19-20,29-30H,1-6,11-12H2,(H,23,25,31,33)(H,24,26,32,34)/t13-,14-,19+,20+/m0/s1
InChIKey
FJJZKBKIZWTNLJ-AFHBHXEDSA-N
Compound name
N,N'-bis[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.19687 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.20415 212.8
[M+Na]+ 527.18609 215.1
[M-H]- 503.18959 220.1
[M+NH4]+ 522.23069 211.8
[M+K]+ 543.16003 214.0
[M+H-H2O]+ 487.19413 202.2
[M+HCOO]- 549.19507 224.7
[M+CH3COO]- 563.21072 240.6
[M+Na-2H]- 525.17154 208.4
[M]+ 504.19632 213.3
[M]- 504.19742 213.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.